N-(ジフェニルメチレン)グリシンtert-ブチル

N-(Diphenylmethylene)glycine tert-butyl ester

HCID 688171

基本情報

CAS
81477-94-3
標準SMILES
CC(C)(C)OC(=O)CN=C(c1ccccc1)c1ccccc1
InChIKey
YSHDPXQDVKNPKA-UHFFFAOYSA-N
分子式
C19H21NO2
平均分子量
295.4 g/mol
単同位体質量
295.15722891

名称と識別子

優先名称
N-(Diphenylmethylene)glycine tert-butyl ester
IUPAC
tert-butyl 2-(benzhydrylideneamino)acetate
現地名
N-(ジフェニルメチレン)グリシンtert-ブチル
英語名
N-(Diphenylmethylene)glycerine tert-butyl ester
分子式
C19H21NO2
分子量
295.38

名称と別名

N-(Diphenylmethylene)glycine tert-butyl esterRefChem:828464805-438-381477-94-3tert-Butyl 2-((diphenylmethylene)amino)acetateDiphenylmethylene-Glycine t-butyl estertert-butyl 2-(benzhydrylideneamino)acetatetert-butyl 2-(diphenylmethyleneamino)acetateMFCD00134280N-(diphenylmethylene)glycine t-butyl esterN-(Diphenylmethylene)glycine, t-Butyl EsterN-(Diphenylmethylene)glycerine tert-butyl ester
名称をさらに表示
N-(ジフェニルメチレン)グリシンtert-ブチルN-(ジフェニルメチレン)グリシン tert-ブチル(ジフェニルメチレンアミノ)酢酸 tert-ブチルN‐(ジフェニルメチレン)グリシンTERT‐ブチルエステルN-(ジフェニルメチレン)グリシンT-ブチルエステルN-(ジフェニルメチレン)グリシンTERT-ブチルエステル(ジフェニルメチレン)アミノ酢酸tert-ブチルN-(ベンズヒドリリデン)グリシンtert-ブチルN-(α-フェニルベンジリデン)グリシンtert-ブチル2-(ジフェニルメチレンアミノ)酢酸tert-ブチルN-ベンズヒドリリデングリシンtert-ブチル2-(α-フェニルベンジリデンアミノ)酢酸tert-ブチル2-[(ジフェニルメチレン)アミノ]酢酸tert-ブチル[(ジフェニルメチレン)アミノ]酢酸tert-ブチル(α-フェニルベンジリデンアミノ)酢酸tert-ブチルN-ジフェニルメチレンアミノ酢酸(tert-ブチル)ジフェニルメチレンアミノ酢酸tert-ブチル(ベンズヒドリリデンアミノ)酢酸tert-ブチル[(α-フェニルベンジリデン)アミノ]酢酸tert-ブチルtert-ブチル 2-[(ジフェニルメチリデン)アミノ]アセタートAURORA KA-6707ycine tert-ButyLBP-GLY-OTBU SCHIFF BASE(C6H5)2C=NCH2CO2C(CH3)3N-(Diphenylmethylene)glycinetert-butyl 2-((diphenylmethyleETHYL (N-DIPHENYMETHYLENE)GLYCINATE
tert-butyl N-(diphenylmethylidene)glycinatetert-butyl [(diphenylmethylene)amino]acetateDPM-Gly-OtBu(Diphenylmethyleneamino)acetic Acid tert-Butyl Estertert-butyl 2-[(diphenylmethylidene)amino]acetateGlycine, N-(diphenylmethylene)-, 1,1-dimethylethyl estertert-Butyl (Diphenylmethyleneamino)acetateDIPHENYLMETHYLENE GLYCINE T-BUTYL ESTER

データベース識別子

CAS
81477-94-3
PubChem CID
688171
DTXSID
DTXSID00350810
EC Number
805-438-3
Nikkaji
J534.082I

物性

構造計算による物性

XLogP
4.4
極性表面積
38.7 Ų
水素結合供与体数
0
水素結合受容体数
3
回転可能結合数
6
重原子数
22

物理化学的性質

融点
51 · 51-53 °C(lit.)
沸点
377.5 · 377.5±34.0 °C(Predicted)
比重(密度)
1 · 1.00±0.1 g/cm3(Predicted)
貯蔵温度
Sealed in dry,Room Temperature
溶解性
クロロホルム(微量)、メタノール(微量)
酸解離定数(Pka)
2.31 · 2.31±0.50(Predicted)

化学的性質

化学的特性White Solid

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.;There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (50%);Eye Irrit. 2A (50%);STOT SE 3 (50%)

安全データ

F
10-21
wgk
3
tsca
No
hs_code
29163990
risk_code
36/37/38
safety_code
22-24/25

化学と産業

応用分野

使用suzuki reaction

サプライヤー100 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

関連反応

55 件

化合物ノート

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